1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine

C15H14ClF3N2S — CID 143498242

IUPAC1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine
SMILESC=C(NCCc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H14ClF3N2S/c1-10(20-7-6-12-3-2-8-22-12)21-11-4-5-14(16)13(9-11)15(17,18)19/h2-5,8-9,20-21H,1,6-7H2
InChIKeyQREQTGPIVLEILW-UHFFFAOYSA-N
MW346.81 g/mol
LogP5.14
Rot. Bonds6

About 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine

1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine (PubChem CID 143498242) has the molecular formula C15H14ClF3N2S and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine
PubChem CID143498242
Molecular FormulaC15H14ClF3N2S
Molecular Weight346.81 g/mol
Exact Mass346.05
IUPAC Name1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine
SMILESC=C(NCCc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H14ClF3N2S/c1-10(20-7-6-12-3-2-8-22-12)21-11-4-5-14(16)13(9-11)15(17,18)19/h2-5,8-9,20-21H,1,6-7H2
InChIKeyQREQTGPIVLEILW-UHFFFAOYSA-N
XLogP5.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.81
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 55446616
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(3-chlorophenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 5019399
3-[3-chloro-4-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 44665633
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60612095

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine (CID 143498242) is 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine is C=C(NCCc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine?
The InChIKey is QREQTGPIVLEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2S/c1-10(20-7-6-12-3-2-8-22-12)21-11-4-5-14(16)13(9-11)15(17,18)19/h2-5,8-9,20-21H,1,6-7H2.
What are the key properties of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine?
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine has a molecular weight of 346.81 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-thiophen-2-ylethyl)ethene-1,1-diamine is sourced from PubChem (CID 143498242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).